Compile Data Set for Download or QSAR
Found 51 Enz. Inhib. hit(s) with all data for entry = 50010706
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataIC50: 3nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataIC50: 3nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataIC50: 5nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataIC50: 20nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataIC50: 22nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataIC50: 25nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataIC50: 31nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataIC50: 31nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataIC50: 40nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataIC50: 53nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataIC50: 210nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataIC50: 220nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataIC50: 225nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataIC50: 331nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataIC50: 875nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataEC50:  8nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataKd:  14nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataKd:  5nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataEC50:  30nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataKd:  129nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataKd:  17nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  38nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataKd:  35nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataKd:  350nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataEC50:  10nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataKd:  26nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataKd:  148nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097820(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+
Affinity DataKd:  4nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  240nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097822(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+
Affinity DataKd:  27nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataKd:  135nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataKd:  36nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataKd:  20nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataKd:  16nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataKd:  6nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataKd:  36nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  6nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataKd:  136nMAssay Description:Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataKd:  11nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097825(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+
Affinity DataKd:  87nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097825(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataKd:  5nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataKd:  6nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097825(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)
Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097823(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)
Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+
Affinity DataKd:  21nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataEC50:  7nMAssay Description:Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097819(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+
Affinity DataEC50:  4nMAssay Description:Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligandMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097821(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)
Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
Affinity DataKd:  4nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataKd:  190nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50029774(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
Affinity DataKd:  7nMAssay Description:Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gammaMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 51 total ) | Next | Last >>
Jump to: